2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol

C10H23NO3S — CID 103914602

IUPAC2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
SMILESCC(CO)CCCNC(C)CS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-9(7-12)5-4-6-11-10(2)8-15(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyLYCZUTZKEBGFMS-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.42
Rot. Bonds8

About 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol

2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol (PubChem CID 103914602) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
PubChem CID103914602
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
SMILESCC(CO)CCCNC(C)CS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-9(7-12)5-4-6-11-10(2)8-15(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyLYCZUTZKEBGFMS-UHFFFAOYSA-N
XLogP0.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
2-methyl-5-(nonan-2-ylamino)pentan-1-ol
CID 104862242
methanesulfonic acid;2-methylheptan-1-ol
CID 175345727
methyl 4-(1-methylsulfonylpropan-2-ylamino)butanoate
CID 64629341
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563
N-(3-ethenoxypropyl)-1-methylsulfonylpropan-2-amine
CID 64629913
2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 115901107
2-[(5-hydroxy-4-methylpentyl)amino]butanoic acid
CID 106158405
2-(1-methylsulfonylpropan-2-ylamino)ethylurea
CID 83111655
5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
CID 103858830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol (CID 103914602) is 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol is CC(CO)CCCNC(C)CS(C)(=O)=O.
What is the InChIKey of 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol?
The InChIKey is LYCZUTZKEBGFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(7-12)5-4-6-11-10(2)8-15(3,13)14/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol?
2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol has a molecular weight of 237.36 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 103914602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).